RuntimeError: Job process returned error code 1 Traceback (most recent call last): File "/usr/local/bin/run_openkim_job.py", line 546, in execute_in_place(runner, runner_driver, subject, subject_driver, env) File "/usr/local/bin/run_openkim_job.py", line 396, in execute_in_place raise RuntimeError(f"Job process returned error code {retcode}") RuntimeError: Job process returned error code 1 output/pipeline.stdout: ----------------------- AFLOW prototype label:A2B_hR18_148_2f_fParameter names:['a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['12.657845', '0.57703611', '0.047561795', '0.46970065', '0.78912751', '0.81098808', '0.16963188', '0.84328788', '0.9528883', '0.22002874', '0.73366252']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'Si']representative atom coordinates = [[0.35366419 0.96576267 0.43546332] [0.56865193 0.10500407 0.27463595] [0.43146933 0.08216445 0.30219319]]spacegroup = 148cell = [[12.6578, 0, 0], [-6.3289, 10.961976356023, 0], [0, 0, 7.304]]========================================= output/pipeline.stderr: ----------------------- File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 787, in get_forces forces = self._calc.get_forces(self) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 30, in get_forces return self.get_property('forces', atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 500, in get_property self.calculate(atoms, [name], system_changes) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 356, in calculate self.propagate(atoms, properties, system_changes, 0) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 379, in propagate self.initialise_lammps(atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 657, in initialise_lammps self.lmp.command('boundary ' + self.lammpsbc(atoms)) File "/usr/local/lib/python3.8/dist-packages/lammps/core.py", line 581, in command self.lib.lammps_command(self.lmp,cmd) File "/usr/local/lib/python3.8/dist-packages/lammps/core.py", line 49, in __exit__ raise self.lmp._lammps_exceptionException: ERROR: Boundary command after simulation box is defined (src/input.cpp:1366)Command exited with non-zero status 1{"realtime":19.00,"usertime":28.60,"systime":36.99,"memmax":152268,"memavg":0} output/kim.log: --------------- 2023-04-04:10:20:49CDT * 0 * information * 0x31c32c0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:10:20:50CDT * 0 * information * 0x31c32c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-04:10:20:50CDT * 1 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x31c32c0'.2023-04-04:10:20:50CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:10:20:50CDT * 0 * information * 0x31c32c0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:10:20:50CDT * 0 * information * 0x31c39c0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:10:20:50CDT * 1 * information * 0x31c39c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x31c32c0_Collections'.2023-04-04:10:20:50CDT * 2 * information * 0x31c32c0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x31c39c0'.2023-04-04:10:20:50CDT * 3 * information * 0x31c32c0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:10:20:50CDT * 1 * information * 0x31c32c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-04:10:20:50CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x31c32c0'.2023-04-04:10:20:50CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:10:20:50CDT * 0 * information * 0x31c32c0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:10:20:50CDT * 0 * information * 0x31c51e0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:10:20:50CDT * 1 * information * 0x31c51e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x31c32c0_Collections'.2023-04-04:10:20:50CDT * 2 * information * 0x31c32c0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x31c51e0'.2023-04-04:10:20:50CDT * 3 * information * 0x31c32c0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:10:20:50CDT * 1 * information * 0x31c32c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-04:10:20:50CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x31c32c0'.2023-04-04:10:20:50CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.